3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3-benzothiazol-2-yl)-2-ethanoyl-but-2-enehydrazide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3-benzothiazol-2-yl)-2-ethanoyl-but-2-enehydrazide Openeye Name: 2-acetyl-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3-benzothiazol-2-yl)but-2-enehydrazide CAS Name: 2-acetyl-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1,3-benzothiazol-2-yl)-2-butenehydrazide IUPAC Name: 2-acetyl-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3-benzothiazol-2-yl)but-2-enehydrazide Traditional Name: 2-acetyl-N-(1,3-benzothiazol-2-yl)-3-(4-piperonylpiperazino)but-2-enohydrazide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)C(=O)N(C1=NC2=CC=CC=C2S1)N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=C(C(=O)C)C(=O)N(C1=NC2=CC=CC=C2S1)N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N5O4S/c1-16(23(17(2)31)24(32)30(26)25-27-19-5-3-4-6-22(19)35-25)29-11-9-28(10-12-29)14-18-7-8-20-21(13-18)34-15-33-20/h3-8,13H,9-12,14-15,26H2,1-2H3